AB00105895-01
TL;DR: AB00105895-01 (CAS 426243-57-4) is a chemical compound with molecular formula C18H17FN4O2S2 and molecular weight 404.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
Also Known As: AB00105895-01, 1-(5-{[(2-fluorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea, 1-(5-(((2-fluorobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea, N-(5-{[(2-fluorobenzyl)thio]methyl}-1,3,4-thiadiazol-2-yl)-N'-(2-methoxyphenyl)urea, 1-[(2Z)-5-{[(2-fluorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]-3-(2-methoxyphenyl)urea
| Molecular Formula | C18H17FN4O2S2 |
|---|---|
| Molecular Weight | 404.08 g/mol |
| LogP | 4.7632 |
| Topological Polar Surface Area | 76.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.0777 |
| Heavy Atoms | 27 |
| Complexity | 919.6371 |
Chemical Identifiers
| CAS Number | 426243-57-4 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)NC2=NN=C(S2)CSCC3=CC=CC=C3F |
Product Overview
AB00105895-01 (CAS 426243-57-4), with molecular formula C18H17FN4O2S2 and molecular weight 404.08 g/mol. IUPAC: 1-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea.
Chemical Property Profile of AB00105895-01
Property Insights of AB00105895-01
The XLogP value of 4.7632 indicates that AB00105895-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00105895-01. Following Lipinski's Rule of Five, AB00105895-01 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00105895-01?
The CAS number of AB00105895-01 is 426243-57-4.
What is the molecular formula of AB00105895-01?
The molecular formula of AB00105895-01 is C18H17FN4O2S2.
What is the molecular weight of AB00105895-01?
The molecular weight of AB00105895-01 is 404.08 g/mol.
Where can I buy AB00105895-01?
You can request a quote for AB00105895-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105895-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105895-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.